2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole

C15H16Br2N2O2S — CID 17466193

IUPAC2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole
SMILESCn1cccc1C1CCCN1S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H16Br2N2O2S/c1-18-8-2-4-13(18)14-5-3-9-19(14)22(20,21)15-10-11(16)6-7-12(15)17/h2,4,6-8,10,14H,3,5,9H2,1H3
InChIKeyUHGMCOXLOMIKNW-UHFFFAOYSA-N
MW448.18 g/mol
LogP4.08
Rot. Bonds3

About 2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole

2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole (PubChem CID 17466193) has the molecular formula C15H16Br2N2O2S and a molecular weight of 448.18 g/mol. Its IUPAC name is 2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole.

Molecular Properties

Compound Name2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole
PubChem CID17466193
Molecular FormulaC15H16Br2N2O2S
Molecular Weight448.18 g/mol
Exact Mass445.93
IUPAC Name2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole
SMILESCn1cccc1C1CCCN1S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H16Br2N2O2S/c1-18-8-2-4-13(18)14-5-3-9-19(14)22(20,21)15-10-11(16)6-7-12(15)17/h2,4,6-8,10,14H,3,5,9H2,1H3
InChIKeyUHGMCOXLOMIKNW-UHFFFAOYSA-N
XLogP4.08
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.18
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine
CID 5025166
1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 25491119
2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 61073788
1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol
CID 43394309
4-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 65206811
1-(2,5-dibromophenyl)sulfonyl-4-ethylpiperidine
CID 47306024
1-(5-bromo-2-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60660873
4-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 54882639
1-(2,5-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969646
1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 60640129
1-[1-(2,5-dibromophenyl)sulfonylpiperidin-4-yl]ethanone
CID 63846251
1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
CID 2873404

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole?
The IUPAC name of 2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole (CID 17466193) is 2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole.
What is the SMILES notation for 2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole?
The canonical SMILES for 2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole is Cn1cccc1C1CCCN1S(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole?
The InChIKey is UHGMCOXLOMIKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O2S/c1-18-8-2-4-13(18)14-5-3-9-19(14)22(20,21)15-10-11(16)6-7-12(15)17/h2,4,6-8,10,14H,3,5,9H2,1H3.
What are the key properties of 2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole?
2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole has a molecular weight of 448.18 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole is sourced from PubChem (CID 17466193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).